The discovery of 2D layered MoSi2N4 and WSi2N4 without knowing their 3D parents by
chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA2Z4 system …

The magnetic and electronic behaviors of four toxic gas molecules (CO, NH 3, NO, and NO
2) adsorbed on intrinsic and defective (VW/WS 2 or VS/WS 2) WS 2 are systematically …

With an extensive range of distinctive features at nano meter-scale thicknesses, two-
dimensional (2D) materials drawn the attention of the scientific community. Despite …

The electronic, magnetic, and optical absorption properties of partial metal adsorbed WS 2
systems were calculated by using the first-principles approach. The optimal adsorption sites …

In this paper, the structure, electronic and optical properties of WSSe/MoSe 2 and MoSe
2/WSSe heterojunctions are studied by using density functional theory (DFT) and first …

The adsorption behaviors of CO, NH 3, NO, and NO 2 on intrinsic and defective MoSi 2 N 4
monolayer, and the electronic properties, magnetic and gas sensing properties are …

The structural, electronic, optical properties and photogalvanic effect of MoSSe/Si 9 C 15
and Si 9 C 15/MoSSe heterostructures are investigated utilizing density functional theory …

The gas sensitivity of the W defect in WS2 (VW/WS2) to five toxic gases—HCHO, CH4,
CH3HO, CH3OH, and CH3CH3—has been examined in this article. These five gases were …

This paper utilizes density functional theory to investigate the structural stability, electronic,
optical properties, and photogalvanic effect of the AlN/Hf 2 CO 2 heterojunction. The high …

The use of semiconductor photocatalysis for hydrogen production is an ideal approach for
achieving solar energy and conversion. In this work, we systematically examine the …